Binding information for 4djo_ligand_1_14.mol2(FDBF00640)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4djo_ligand_1_14.mol2 | 4djo | 0.583333 | -5.61 | C(Cl)(Cl)C(=O)N | 6 |
Structure and binding mode of 4djo_ligand_1_14.mol2(FDBF00640)
Important binding residues for 4djo_ligand_1_14.mol2(FDBF00640)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4djo | ALA28 | -0.67 | -1.28 | -1.95 | 0.51 | -1.44 |
| 4djo | ASP29 | -0.87 | -0.72 | -1.59 | 0.48 | -1.11 |
| 4djo | ASP30 | -0.82 | 0.47 | -0.35 | -0.43 | -0.78 |
| 4djo | ILE47 | -0.99 | 0.36 | -0.63 | -0.28 | -0.91 |
| 4djo | GLY48 | 0.14 | -3.70 | -3.56 | 2.60 | -0.96 |
| 4djo | ARG8 | -0.51 | -0.04 | -0.55 | 0.09 | -0.45 |
